4-[(E)-5-(3-methylthiophen-2-yl)-5-phenyl-pent-4-enyl]benzenesulfonic acid

Systemtic Name: 4-[(E)-5-(3-methylthiophen-2-yl)-5-phenyl-pent-4-enyl]benzenesulfonic acid Openeye Name: 4-[(E)-5-(3-methyl-2-thienyl)-5-phenyl-pent-4-enyl]benzenesulfonic acid CAS Name: 4-[(E)-5-(3-methyl-2-thiophenyl)-5-phenylpent-4-enyl]benzenesulfonic acid IUPAC Name: 4-[(E)-5-(3-methylthiophen-2-yl)-5-phenylpent-4-enyl]benzenesulfonic acid Traditional Name: 4-[(E)-5-(3-methyl-2-thienyl)-5-phenyl-pent-4-enyl]besylic acid Formula: C22H22O3S2 MolecularWeight: 398.53828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCCC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)/C(=C/CCCC2=CC=C(C=C2)S(=O)(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C22H22O3S2/c1-17-15-16-26-22(17)21(19-8-3-2-4-9-19)10-6-5-7-18-11-13-20(14-12-18)27(23,24)25/h2-4,8-16H,5-7H2,1H3,(H,23,24,25)/b21-10+